butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate
TL;DR: butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate (CAS 449170-39-2) is a chemical compound with molecular formula C13H18ClNO3 and molecular weight 271.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate
Also Known As: butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate, butyl (4-chloro-2-methoxy-5-methylphenyl)carbamate, butyl (4-chloro-2-methoxy-5-tolyl)carbamate, VU0157683-3, butoxy-N-(4-chloro-2-methoxy-5-methylphenyl)carboxamide
| Molecular Formula | C13H18ClNO3 |
|---|---|
| Molecular Weight | 271.10 g/mol |
| LogP | 4.00562 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.09753 |
| Heavy Atoms | 18 |
| Complexity | 420.94254 |
Chemical Identifiers
| CAS Number | 449170-39-2 |
|---|---|
| SMILES | CCCCOC(=O)NC1=C(C=C(C(=C1)C)Cl)OC |
Product Overview
butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate (CAS 449170-39-2), with molecular formula C13H18ClNO3 and molecular weight 271.10 g/mol. IUPAC: butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate.
Chemical Property Profile of butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate
Property Insights of butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate
The XLogP value of 4.00562 indicates that butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate?
The CAS number of butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate is 449170-39-2.
What is the molecular formula of butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate?
The molecular formula of butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate is C13H18ClNO3.
What is the molecular weight of butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate?
The molecular weight of butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate is 271.10 g/mol.
Where can I buy butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate?
You can request a quote for butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for butyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.